[(1R)-1-cyanoethyl] 2-(dimethylamino)-5-nitro-benzoate

Systemtic Name: [(1R)-1-cyanoethyl] 2-(dimethylamino)-5-nitro-benzoate Openeye Name: [(1R)-1-cyanoethyl] 2-(dimethylamino)-5-nitro-benzoate CAS Name: 2-(dimethylamino)-5-nitrobenzoic acid [(1R)-1-cyanoethyl] ester IUPAC Name: [(1R)-1-cyanoethyl] 2-(dimethylamino)-5-nitrobenzoate Traditional Name: 2-(dimethylamino)-5-nitro-benzoic acid [(1R)-1-cyanoethyl] ester Formula: C12H13N3O4 MolecularWeight: 263.24932

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)OC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N(C)C

Isomeric SMILES

C[C@H](C#N)OC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N(C)C

InChI

InChI=1S/C12H13N3O4/c1-8(7-13)19-12(16)10-6-9(15(17)18)4-5-11(10)14(2)3/h4-6,8H,1-3H3/t8-/m1/s1